UCSF

ZINC58041163

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 21 Yes

Other Names:

MFCD18089617

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.11 6.27 -132.08 4 5 2 62 301.475 7
Mid Mid (pH 6-8) 2.11 5.81 -35.63 3 5 1 60 300.467 7
Mid Mid (pH 6-8) 2.11 4.61 -49.82 3 5 1 60 300.467 7

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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Analogs ( Draw Identity 99% 90% 80% 70% )